BDBM102169 US8530648, 78

SMILES: Cc1noc(n1)-c1ccccc1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O

InChI Key: InChIKey=ORQIXYIDXFFJOU-UHFFFAOYSA-N

Data: 4 KI  2 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 102169   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin receptor type 2 (Homo sapiens (Human))	BDBM102169 (US8530648, 78) Show SMILES Cc1noc(n1)-c1ccccc1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O Show InChI InChI=1S/C27H28N6O2/c1-19-29-25(35-31-19)21-8-3-2-7-20(21)18-33-14-6-11-27(26(33)34)12-15-32(16-13-27)24-17-28-22-9-4-5-10-23(22)30-24/h2-5,7-10,17H,6,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Antagonist activity at human orexin receptor 2 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM102169 (US8530648, 78) Show SMILES Cc1noc(n1)-c1ccccc1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O Show InChI InChI=1S/C27H28N6O2/c1-19-29-25(35-31-19)21-8-3-2-7-20(21)18-33-14-6-11-27(26(33)34)12-15-32(16-13-27)24-17-28-22-9-4-5-10-23(22)30-24/h2-5,7-10,17H,6,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description FLIPR assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM102169 (US8530648, 78) Show SMILES Cc1noc(n1)-c1ccccc1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O Show InChI InChI=1S/C27H28N6O2/c1-19-29-25(35-31-19)21-8-3-2-7-20(21)18-33-14-6-11-27(26(33)34)12-15-32(16-13-27)24-17-28-22-9-4-5-10-23(22)30-24/h2-5,7-10,17H,6,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description FLIPR assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM102169 (US8530648, 78) Show SMILES Cc1noc(n1)-c1ccccc1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O Show InChI InChI=1S/C27H28N6O2/c1-19-29-25(35-31-19)21-8-3-2-7-20(21)18-33-14-6-11-27(26(33)34)12-15-32(16-13-27)24-17-28-22-9-4-5-10-23(22)30-24/h2-5,7-10,17H,6,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Antagonist activity at human orexin receptor 1 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM102169 (US8530648, 78) Show SMILES Cc1noc(n1)-c1ccccc1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O Show InChI InChI=1S/C27H28N6O2/c1-19-29-25(35-31-19)21-8-3-2-7-20(21)18-33-14-6-11-27(26(33)34)12-15-32(16-13-27)24-17-28-22-9-4-5-10-23(22)30-24/h2-5,7-10,17H,6,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2.77E+3	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Radioligand binding assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM102169 (US8530648, 78) Show SMILES Cc1noc(n1)-c1ccccc1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O Show InChI InChI=1S/C27H28N6O2/c1-19-29-25(35-31-19)21-8-3-2-7-20(21)18-33-14-6-11-27(26(33)34)12-15-32(16-13-27)24-17-28-22-9-4-5-10-23(22)30-24/h2-5,7-10,17H,6,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	243	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Radioligand binding assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair